CID 87637

2,5-dimethyl-3-propylpyrazine

Structural Information

Molecular Formula
C9H14N2
SMILES
CCCC1=NC(=CN=C1C)C
InChI
InChI=1S/C9H14N2/c1-4-5-9-8(3)10-6-7(2)11-9/h6H,4-5H2,1-3H3
InChIKey
ARRSOXMGLBJPNV-UHFFFAOYSA-N
Compound name
2,5-dimethyl-3-propylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

150.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12297 132.7
[M+Na]+ 173.10491 147.0
[M+NH4]+ 168.14951 141.3
[M+K]+ 189.07885 139.7
[M-H]- 149.10841 134.5
[M+Na-2H]- 171.09036 140.2
[M]+ 150.11514 135.3
[M]- 150.11624 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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